MAterials for Energy through STochastic sampling and high peRformance cOmputing

The MAESTRO project aims at a conceptual and operational breakthrough in computational materials science, particularly in the study of materials for energy applications and storage.

Two angles of attack will allow to set up a perspective project on:

  1. building realistic models to control the growth of spurious materials at the solid-electrolyte interfaces;
  2. explore new knowledge on stochastic sampling in the optimization of the electronic wave function, and thus allow a better ab initio study of the problem;
  3. transpose the multi-scale approaches into highly efficient modular and portable HPC codes.

Scientific Coordinator

Pr. A. Marco Saitta, IMPMC, Sorbonne Université
Team Members


Major research units connected with the team:
  • IMPMC (Institut de minéralogie, de physique des matériaux et de cosmochimie), UMR 7590, CNRS, Sorbonne Université
  • LJLL (laboratoire J.L. Lions), UMR 7598, CNRS, Sorbonne Université
  • Fédération de Mathématiques de CentraleSupélec, CNRS FR 3487
  • Maison de la Simulation, Saclay
  • PASTEUR, ENS, Sorbonne Université